Geometry & MOs

Info

ID:	242757
PubChem CID:	99206117
Reduced:	BrSN2O3C18H19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-48.05
Dipole, Da:	2.32
IP(EA), eV:	-9.29(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2-hydroxybenzoyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CO2)C(=O)CSCC(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations